SCHEMBL8044901

SCHEMBL8044901

C=CC(=O)OC(CC)Oc1ccc2ccccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.48
PPARA Q07869 3/20 0.48
KDM4E B2RXH2 3/20 0.42
THRB P10828 2/20 0.42
TDP1 Q9NUW8 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 2/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
EGFR P00533 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
JAK1 P23458 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8041642 0.86 PPARG (0.49) PPARGPPARAKDM4ETHRBTDP1
SCHEMBL218320 0.85 THRB (0.46) PPARGPPARAKDM4ETHRBALDH1A1
SCHEMBL23581933 0.83 MAPT (0.52) PPARGPPARAMAPTPKMSMN1; SMN2
SCHEMBL14113634 0.83 AKR1C3 (0.43) THRBTDP1MAPTL3MBTL1CYP1A2
SCHEMBL14182067 0.82 THRB (0.43) PPARGPPARAKDM4ETHRBALDH1A1
SCHEMBL14113638 0.82 MAPT (0.43) PPARGPPARAKDM4ETHRBALDH1A1
SCHEMBL1218505 0.81 MAPT (0.45) PPARGPPARAKDM4ETHRBTDP1
SCHEMBL23581937 0.81 RXRA (0.47) THRBMAPT
SCHEMBL28244460 0.80 THRB (0.48) PPARGPPARAKDM4ETHRBALDH1A1
SCHEMBL11966995 0.79 MAPT (0.42) PPARGPPARATHRBALDH1A1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000079312-A1 HIGH REFRACTIVE INDEX COMPOSITIONS FOR OPHTHALMIC IMPLANTS BAUSCH & LOMB SURGICAL, INC. (US) 2000-12-28 WO claimed
WO-2000079312-A1 HIGH REFRACTIVE INDEX COMPOSITIONS FOR OPHTHALMIC IMPLANTS BAUSCH & LOMB SURGICAL, INC. (US) 2000-12-28 WO disclosed